SCHEMBL7428749

SCHEMBL7428749

Cc1cc(Br)cnc1N(CCN(CCCc1c[nH]cn1)C(=N)N)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PKM P14618 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9827936 0.99 GBA1 (0.35) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9828851 0.84 GBA1 (0.38) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9828576 0.82 HRH4 (0.39) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7428754 0.82 GBA1 (0.39) GBA1HRH4HRH3
Hydrochloric Acid SCHEMBL9827176 0.82 GRIN2D (0.40) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10374977 0.80 GBA1 (0.36) GBA1HRH4HRH3
SCHEMBL9828412 0.78 CHRM2 (0.46) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7430554 0.78
Hydrochloric Acid SCHEMBL9827919 0.78 LMNA (0.47) GBA1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9827508 0.78 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP claimed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP claimed
EP-0302896-B1 N-(W-SUBSTITUTED ALKYL)-N'-[(IMIDAZOLE-4-YL)ALKYL]GUANIDINE CEDONA PHARMACEUTICALS B.V. (NL) 1991-08-14 EP claimed
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP disclosed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP disclosed